Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 3A' and Ligand = 'BDBM160716'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM160716 (US9045501, 11) Show SMILES Cc1cc2C(=O)N(CCn3ncc(c1)c23)C1CN2CCC1CC2 |(-3.26,-5.15,;-1.99,-4.28,;-2.05,-2.71,;-.78,-1.84,;-1.12,-.34,;-2.46,.43,;-.16,.87,;1.38,.87,;2.34,-.34,;1.99,-1.84,;3.03,-3.1,;2.22,-4.41,;.72,-4.04,;-.55,-4.91,;.61,-2.51,;-.56,2.35,;-2.05,2.75,;-2.45,4.24,;-1.36,5.33,;.13,4.93,;.53,3.44,;-.96,3.1,;-.96,4.64,)| Show InChI InChI=1S/C18H22N4O/c1-12-8-14-10-19-22-7-6-21(18(23)15(9-12)17(14)22)16-11-20-4-2-13(16)3-5-20/h8-10,13,16H,2-7,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...				US Patent US9045501 (2015) BindingDB Entry DOI: 10.7270/Q2MK6BN0
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